N-oleoyl-4-nonylpiperidine

C32H61NO — CID 129727944

IUPAC(Z)-1-(4-nonylpiperidin-1-yl)octadec-9-en-1-one
SMILESCCCCCCCCCC1CCN(CC1)C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C32H61NO/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-32(34)33-29-27-31(28-30-33)25-23-21-19-10-8-6-4-2/h14-15,31H,3-13,16-30H2,1-2H3/b15-14-
InChIKeyICJKUBMDDGINLQ-PFONDFGASA-N
MW475.80 g/mol
LogP12.80
Rot. Bonds23

About N-oleoyl-4-nonylpiperidine

N-oleoyl-4-nonylpiperidine (PubChem CID 129727944) has the molecular formula C32H61NO and a molecular weight of 475.80 g/mol. Its IUPAC name is (Z)-1-(4-nonylpiperidin-1-yl)octadec-9-en-1-one.

Molecular Properties

Compound NameN-oleoyl-4-nonylpiperidine
PubChem CID129727944
Molecular FormulaC32H61NO
Molecular Weight475.80 g/mol
Exact Mass475.48
IUPAC Name(Z)-1-(4-nonylpiperidin-1-yl)octadec-9-en-1-one
SMILESCCCCCCCCCC1CCN(CC1)C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C32H61NO/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-32(34)33-29-27-31(28-30-33)25-23-21-19-10-8-6-4-2/h14-15,31H,3-13,16-30H2,1-2H3/b15-14-
InChIKeyICJKUBMDDGINLQ-PFONDFGASA-N
XLogP12.80
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms34
Complexity464

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.80
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9Z)-1-(1-Piperidinyl)-9-octadecen-1-one
CID 5356538
Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
N,N-Diisobutyloleamide
CID 6432882
1-[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 3150593
2-[(1S,4S,6S)-3-methyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
CID 38029966
N-linoleoylpiperidine
CID 118726075
23-Methyl-tetracos-5,9-dienoic acid, pyrrolidide
CID 91705239
N-oleoyl-N'-methylpiper azine
CID 16726156
N,N'-dioleoylpiperazine
CID 67748778
N-oleoyl-4-methylpiperidin
CID 70607554
N,N-diisoamyloleamide
CID 88795597
N,N-didecyloleamide
CID 129726616

Frequently Asked Questions

What is the IUPAC name of N-oleoyl-4-nonylpiperidine?
The IUPAC name of N-oleoyl-4-nonylpiperidine (CID 129727944) is (Z)-1-(4-nonylpiperidin-1-yl)octadec-9-en-1-one.
What is the SMILES notation for N-oleoyl-4-nonylpiperidine?
The canonical SMILES for N-oleoyl-4-nonylpiperidine is CCCCCCCCCC1CCN(CC1)C(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of N-oleoyl-4-nonylpiperidine?
The InChIKey is ICJKUBMDDGINLQ-PFONDFGASA-N. The full InChI is InChI=1S/C32H61NO/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-32(34)33-29-27-31(28-30-33)25-23-21-19-10-8-6-4-2/h14-15,31H,3-13,16-30H2,1-2H3/b15-14-.
What are the key properties of N-oleoyl-4-nonylpiperidine?
N-oleoyl-4-nonylpiperidine has a molecular weight of 475.80 g/mol, XLogP of 12.80, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-oleoyl-4-nonylpiperidine is sourced from PubChem (CID 129727944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).